2-methoxy-5-[[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[1-[(E)-styryl]sulfonylpiperidine-4-carbonyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[oxo-[1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinyl]methyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[1-[(E)-styryl]sulfonylisonipecotoyl]amino]methyl]benzoic acid Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H26N2O6S/c1-31-21-8-7-18(15-20(21)23(27)28)16-24-22(26)19-9-12-25(13-10-19)32(29,30)14-11-17-5-3-2-4-6-17/h2-8,11,14-15,19H,9-10,12-13,16H2,1H3,(H,24,26)(H,27,28)/b14-11+